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CHEBI:156314 - erdasporine B

ChEBI IDCHEBI:156314
ChEBI Nameerdasporine B
Stars
DefinitionAn organic heterohexacyclic compound that is 12,13-dihydro-6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole in which the hydrogen at position 5 is substituted by a methoxycarbonyl group. It is synthesized by a gene cluster found in environmental DNA and exhibits cytotoxic activity against human HCT116 cancer cells and Staphylococcus aureus.
Last Modified18 August 2020
SubmitterMartin Larralde
DownloadsMolfile
FormulaC22H15N3O2
Net Charge0
Average Mass353.381
Monoisotopic Mass353.11643
SMILESCOC(=O)c1ncc2c1c1c3ccccc3nc1c1nc3ccccc3c21
InChIInChI=1S/C22H15N3O2/c1-27-22(26)21-18-13(10-23-21)16-11-6-2-4-8-14(11)24-19(16)20-17(18)12-7-3-5-9-15(12)25-20/h2-10,23-25H,1H3
InChIKeyPOAWNROCPSHGIZ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
toxin  Poisonous substance produced by a biological organism such as a microbe, animal or plant.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
erdasporine B (CHEBI:156314) has role antibacterial agent (CHEBI:33282)
erdasporine B (CHEBI:156314) has role antineoplastic agent (CHEBI:35610)
erdasporine B (CHEBI:156314) has role toxin (CHEBI:27026)
erdasporine B (CHEBI:156314) is a indolocarbazole alkaloid (CHEBI:37697)
erdasporine B (CHEBI:156314) is a methyl ester (CHEBI:25248)
erdasporine B (CHEBI:156314) is a organic heterohexacyclic compound (CHEBI:51914)
erdasporine B (CHEBI:156314) is a secondary amino compound (CHEBI:50995)
Incoming Relation(s)
erdasporine C (CHEBI:156315) has functional parent erdasporine B (CHEBI:156314)
IUPAC Name 
methyl 12,13-dihydro-6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5-carboxylate
Synonym  Source
methyl 3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaene-12-carboxylateIUPAC
Citations